(3-methylsulfanyl-5-octadecoxy-phenyl)carbamic acid

Systemtic Name: (3-methylsulfanyl-5-octadecoxy-phenyl)carbamic acid Openeye Name: (3-methylsulfanyl-5-octadecoxy-phenyl)carbamic acid CAS Name: [3-(methylthio)-5-octadecoxyphenyl]carbamic acid IUPAC Name: (3-methylsulfanyl-5-octadecoxyphenyl)carbamic acid Traditional Name: [3-(methylthio)-5-stearyloxy-phenyl]carbamic acid Formula: C26H45NO3S MolecularWeight: 451.7054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)NC(=O)O)SC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)NC(=O)O)SC

InChI

InChI=1S/C26H45NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-24-20-23(27-26(28)29)21-25(22-24)31-2/h20-22,27H,3-19H2,1-2H3,(H,28,29)